CID 49768104

2-[3-bromo-4-(3-cyano-5-difluoromethyl-phenoxy)-phenyl]-n-(2-chloro-4-sulfamoyl-phenyl)-acetamide

Structural Information

Molecular Formula
C22H15BrClF2N3O4S
SMILES
C1=CC(=C(C=C1CC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)Cl)Br)OC3=CC(=CC(=C3)C(F)F)C#N
InChI
InChI=1S/C22H15BrClF2N3O4S/c23-17-7-12(8-21(30)29-19-3-2-16(10-18(19)24)34(28,31)32)1-4-20(17)33-15-6-13(11-27)5-14(9-15)22(25)26/h1-7,9-10,22H,8H2,(H,29,30)(H2,28,31,32)
InChIKey
NZANIXOJIFICAK-UHFFFAOYSA-N
Compound name
2-[3-bromo-4-[3-cyano-5-(difluoromethyl)phenoxy]phenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

568.96234 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.96962 219.6
[M+Na]+ 591.95156 232.0
[M-H]- 567.95506 225.5
[M+NH4]+ 586.99616 226.8
[M+K]+ 607.92550 216.6
[M+H-H2O]+ 551.95960 208.8
[M+HCOO]- 613.96054 227.0
[M+CH3COO]- 627.97619 250.7
[M+Na-2H]- 589.93701 217.7
[M]+ 568.96179 233.2
[M]- 568.96289 233.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.